5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C10H13NO3S2 — CID 6623259

IUPAC5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C10H13NO3S2/c1-2-3-11-10(12)8-4-7-5-16(13,14)6-9(7)15-8/h4H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyLQMWZNZMZNHMIY-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.32
Rot. Bonds3

About 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 6623259) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound Name5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID6623259
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2
InChIInChI=1S/C10H13NO3S2/c1-2-3-11-10(12)8-4-7-5-16(13,14)6-9(7)15-8/h4H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyLQMWZNZMZNHMIY-UHFFFAOYSA-N
XLogP1.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 6623259) is 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is CCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2.
What is the InChIKey of 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is LQMWZNZMZNHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-2-3-11-10(12)8-4-7-5-16(13,14)6-9(7)15-8/h4H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dioxo-N-propyl-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 6623259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).